data_278D
# 
_entry.id   278D 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    4.007 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
PDB 278D   
NDB DDF068 
# 
loop_
_database_PDB_rev.num 
_database_PDB_rev.date 
_database_PDB_rev.date_original 
_database_PDB_rev.status 
_database_PDB_rev.replaces 
_database_PDB_rev.mod_type 
1 1996-09-16 1996-07-22 ? 278D 0 
2 2000-11-27 ?          ? 278D 5 
3 2002-06-28 ?          ? 278D 1 
4 2003-04-01 ?          ? 278D 1 
5 2009-02-24 ?          ? 278D 1 
# 
loop_
_database_PDB_rev_record.rev_num 
_database_PDB_rev_record.type 
_database_PDB_rev_record.details 
3 REMARK ? 
4 JRNL   ? 
5 VERSN  ? 
# 
_pdbx_database_status.status_code    REL 
_pdbx_database_status.entry_id       278D 
_pdbx_database_status.deposit_site   NDB 
_pdbx_database_status.process_site   NDB 
_pdbx_database_status.SG_entry       . 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Gao, Y.-G.'    1 
'Priebe, W.'    2 
'Wang, A.H.-J.' 3 
# 
_citation.id                        primary 
_citation.title                     
;Substitutions at C2' of daunosamine in the anticancer drug daunorubicin alter its DNA-binding sequence specificity.
;
_citation.journal_abbrev            Eur.J.Biochem. 
_citation.journal_volume            240 
_citation.page_first                331 
_citation.page_last                 335 
_citation.year                      1996 
_citation.journal_id_ASTM           EJBCAI 
_citation.country                   IX 
_citation.journal_id_ISSN           0014-2956 
_citation.journal_id_CSD            0262 
_citation.book_publisher            ? 
_citation.pdbx_database_id_PubMed   8841395 
_citation.pdbx_database_id_DOI      10.1111/j.1432-1033.1996.0331h.x 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
primary 'Gao, Y.G.'  1 
primary 'Priebe, W.' 2 
primary 'Wang, A.H.' 3 
# 
_cell.entry_id           278D 
_cell.length_a           28.250 
_cell.length_b           28.250 
_cell.length_c           53.670 
_cell.angle_alpha        90.00 
_cell.angle_beta         90.00 
_cell.angle_gamma        90.00 
_cell.Z_PDB              8 
_cell.pdbx_unique_axis   ? 
# 
_symmetry.entry_id                         278D 
_symmetry.space_group_name_H-M             'P 41 21 2' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                ? 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.details 
1 polymer     man 
;DNA (5'-D(*CP*GP*(G49)P*CP*CP*G)-3'
;
1824.247 1  ? 
2 non-polymer syn "2'-BROMO-4'-EPIDAUNORUBICIN"         606.423  1  ? 
3 water       nat water                                 18.015   43 ? 
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           polydeoxyribonucleotide 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   yes 
_entity_poly.pdbx_seq_one_letter_code       '(DC)(DG)(G49)(DC)(DC)(DG)' 
_entity_poly.pdbx_seq_one_letter_code_can   CGGCCG 
_entity_poly.pdbx_strand_id                 A 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1 DC  n 
1 2 DG  n 
1 3 G49 n 
1 4 DC  n 
1 5 DC  n 
1 6 DG  n 
# 
_struct_ref.id                  1 
_struct_ref.entity_id           1 
_struct_ref.db_name             PDB 
_struct_ref.db_code             278D 
_struct_ref.pdbx_db_accession   278D 
_struct_ref.biol_id             . 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              278D 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 6 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             278D 
_struct_ref_seq.db_align_beg                  1 
_struct_ref_seq.db_align_end                  6 
_struct_ref_seq.pdbx_auth_seq_align_beg       1 
_struct_ref_seq.pdbx_auth_seq_align_end       6 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
DC  'DNA linking' y "2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE"             ?                                                       
'C9 H14 N3 O7 P'   307.199 
DG  'DNA linking' y "2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE"            ?                                                       
'C10 H14 N5 O7 P'  347.224 
G49 'DNA linking' n "N2-METHYL-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE" ?                                                       
'C11 H16 N5 O7 P'  361.250 
DM8 NON-POLYMER   . "2'-BROMO-4'-EPIDAUNORUBICIN"                   'WP401; DAUNOMYCIN DERIVATIVE; DAUNORUBICIN DERIVATIVE' 
'C27 H28 BR N O10' 606.423 
HOH NON-POLYMER   . WATER                                           ?                                                       'H2 O' 
18.015  
# 
_exptl.entry_id          278D 
_exptl.method            'X-RAY DIFFRACTION' 
_exptl.crystals_number   ? 
# 
_exptl_crystal.id                    1 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_percent_sol   56.25 
_exptl_crystal.density_Matthews      2.81 
_exptl_crystal.description           ? 
# 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.method          'VAPOR DIFFUSION' 
_exptl_crystal_grow.temp            298.00 
_exptl_crystal_grow.temp_details    'ROOM TEMPERATURE' 
_exptl_crystal_grow.pH              6.00 
_exptl_crystal_grow.pdbx_details    'pH 6.00, VAPOR DIFFUSION, temperature 298.00K' 
_exptl_crystal_grow.pdbx_pH_range   . 
# 
loop_
_exptl_crystal_grow_comp.crystal_id 
_exptl_crystal_grow_comp.id 
_exptl_crystal_grow_comp.sol_id 
_exptl_crystal_grow_comp.name 
_exptl_crystal_grow_comp.volume 
_exptl_crystal_grow_comp.conc 
_exptl_crystal_grow_comp.details 
1 1 1 WATER           ? ? ? 
1 2 1 MPD             ? ? ? 
1 3 1 BACL2           ? ? ? 
1 4 1 'NA CACODYLATE' ? ? ? 
1 5 1 SPERMINE        ? ? ? 
1 6 2 WATER           ? ? ? 
1 7 2 MPD             ? ? ? 
# 
_diffrn.id                     1 
_diffrn.ambient_temp           293.00 
_diffrn.ambient_temp_details   ? 
_diffrn.crystal_id             1 
# 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.detector               'IMAGE PLATE' 
_diffrn_detector.type                   'RIGAKU RAXIS IIC' 
_diffrn_detector.pdbx_collection_date   1995-08-06 
_diffrn_detector.details                ? 
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   . 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.diffrn_id                   1 
_diffrn_source.source                      'ROTATING ANODE' 
_diffrn_source.type                        'RIGAKU RU200' 
_diffrn_source.pdbx_synchrotron_site       ? 
_diffrn_source.pdbx_synchrotron_beamline   ? 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_wavelength_list        ? 
# 
_reflns.entry_id                     278D 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             ? 
_reflns.d_resolution_high            ? 
_reflns.number_obs                   ? 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         ? 
_reflns.pdbx_Rmerge_I_obs            0.06 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        ? 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              4.000 
_reflns.R_free_details               ? 
_reflns.pdbx_ordinal                 1 
_reflns.pdbx_diffrn_id               1 
# 
_computing.entry_id                           278D 
_computing.pdbx_data_reduction_ii             MSC 
_computing.pdbx_data_reduction_ds             ? 
_computing.data_collection                    ? 
_computing.structure_solution                 ? 
_computing.structure_refinement               NUCLSQ 
_computing.pdbx_structure_refinement_method   ? 
# 
_refine.entry_id                               278D 
_refine.ls_number_reflns_obs                   1860 
_refine.ls_number_reflns_all                   ? 
_refine.pdbx_ls_sigma_I                        ? 
_refine.pdbx_ls_sigma_F                        4.000 
_refine.pdbx_data_cutoff_high_absF             ? 
_refine.pdbx_data_cutoff_low_absF              ? 
_refine.pdbx_data_cutoff_high_rms_absF         ? 
_refine.ls_d_res_low                           10.000 
_refine.ls_d_res_high                          1.800 
_refine.ls_percent_reflns_obs                  ? 
_refine.ls_R_factor_obs                        0.183 
_refine.ls_R_factor_all                        ? 
_refine.ls_R_factor_R_work                     ? 
_refine.ls_R_factor_R_free                     ? 
_refine.ls_R_factor_R_free_error               ? 
_refine.ls_R_factor_R_free_error_details       ? 
_refine.ls_percent_reflns_R_free               ? 
_refine.ls_number_reflns_R_free                ? 
_refine.ls_number_parameters                   ? 
_refine.ls_number_restraints                   ? 
_refine.occupancy_min                          ? 
_refine.occupancy_max                          ? 
_refine.B_iso_mean                             ? 
_refine.aniso_B[1][1]                          ? 
_refine.aniso_B[2][2]                          ? 
_refine.aniso_B[3][3]                          ? 
_refine.aniso_B[1][2]                          ? 
_refine.aniso_B[1][3]                          ? 
_refine.aniso_B[2][3]                          ? 
_refine.solvent_model_details                  ? 
_refine.solvent_model_param_ksol               ? 
_refine.solvent_model_param_bsol               ? 
_refine.pdbx_ls_cross_valid_method             ? 
_refine.details                                ? 
_refine.pdbx_starting_model                    ? 
_refine.pdbx_method_to_determine_struct        ? 
_refine.pdbx_isotropic_thermal_model           ? 
_refine.pdbx_stereochemistry_target_values     ? 
_refine.pdbx_stereochem_target_val_spec_case   ? 
_refine.pdbx_R_Free_selection_details          ? 
_refine.pdbx_overall_ESU_R                     ? 
_refine.pdbx_overall_ESU_R_Free                ? 
_refine.overall_SU_ML                          ? 
_refine.overall_SU_B                           ? 
_refine.ls_redundancy_reflns_obs               ? 
_refine.correlation_coeff_Fo_to_Fc             ? 
_refine.correlation_coeff_Fo_to_Fc_free        ? 
_refine.pdbx_solvent_vdw_probe_radii           ? 
_refine.pdbx_solvent_ion_probe_radii           ? 
_refine.pdbx_solvent_shrinkage_radii           ? 
_refine.overall_SU_R_Cruickshank_DPI           ? 
_refine.overall_SU_R_free                      ? 
_refine.pdbx_refine_id                         'X-RAY DIFFRACTION' 
_refine.pdbx_diffrn_id                         1 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.pdbx_number_atoms_protein        0 
_refine_hist.pdbx_number_atoms_nucleic_acid   121 
_refine_hist.pdbx_number_atoms_ligand         39 
_refine_hist.number_atoms_solvent             43 
_refine_hist.number_atoms_total               203 
_refine_hist.d_res_high                       1.800 
_refine_hist.d_res_low                        10.000 
# 
loop_
_refine_ls_restr.type 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.weight 
_refine_ls_restr.number 
_refine_ls_restr.pdbx_refine_id 
n_bond_d               0.019 ? ? ? 'X-RAY DIFFRACTION' 
n_angle_d              ?     ? ? ? 'X-RAY DIFFRACTION' 
n_planar_d             ?     ? ? ? 'X-RAY DIFFRACTION' 
n_hb_or_metal_coord    ?     ? ? ? 'X-RAY DIFFRACTION' 
n_sugar_bond_it        ?     ? ? ? 'X-RAY DIFFRACTION' 
n_sugar_angle_it       ?     ? ? ? 'X-RAY DIFFRACTION' 
n_phos_bond_it         ?     ? ? ? 'X-RAY DIFFRACTION' 
n_phos_angle_it        ?     ? ? ? 'X-RAY DIFFRACTION' 
n_bond_angle_restr     ?     ? ? ? 'X-RAY DIFFRACTION' 
n_dihedral_angle_restr ?     ? ? ? 'X-RAY DIFFRACTION' 
n_impr_tor             ?     ? ? ? 'X-RAY DIFFRACTION' 
n_sugar_bond_d         ?     ? ? ? 'X-RAY DIFFRACTION' 
n_sugar_bond_angle_d   ?     ? ? ? 'X-RAY DIFFRACTION' 
n_phos_bond_d          ?     ? ? ? 'X-RAY DIFFRACTION' 
n_phos_bond_angle_d    ?     ? ? ? 'X-RAY DIFFRACTION' 
n_plane_restr          ?     ? ? ? 'X-RAY DIFFRACTION' 
n_chiral_restr         ?     ? ? ? 'X-RAY DIFFRACTION' 
n_singtor_nbd          ?     ? ? ? 'X-RAY DIFFRACTION' 
n_multtor_nbd          ?     ? ? ? 'X-RAY DIFFRACTION' 
n_xhyhbond_nbd         ?     ? ? ? 'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  278D 
_struct.title                     
;SUBSTITUTIONS AT C2' OF DAUNOSAMINE IN THE ANTICANCER DAUNORUBICIN ALTER ITS DNA-BINDING SEQUENCE SPECIFICITY
;
_struct.pdbx_descriptor           
;5'-D(*CP*GP*(G49)P*CP*CP*G)-3', 2'-BROMO-4'-EPIDAUNORUBICIN
;
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        278D 
_struct_keywords.pdbx_keywords   DNA 
_struct_keywords.text            'RIGHT HANDED DNA, DOUBLE HELIX, COMPLEXED WITH DRUG, MODIFIED, DNA' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
# 
_struct_biol.id                    1 
_struct_biol.pdbx_parent_biol_id   ? 
_struct_biol.details               ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
covale1  covale ? A DG  2 "O3'" ? ? ? 1_555 A G49 3 P  ? ? A DG  2 A G49 3 1_555 ? ? ? ? ? ? ?            1.595 ? 
covale2  covale ? A G49 3 "O3'" ? ? ? 1_555 A DC  4 P  ? ? A G49 3 A DC  4 1_555 ? ? ? ? ? ? ?            1.581 ? 
hydrog1  hydrog ? A DC  1 N3    ? ? ? 1_555 A DG  6 N1 ? ? A DC  1 A DG  6 8_665 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog2  hydrog ? A DC  1 N4    ? ? ? 1_555 A DG  6 O6 ? ? A DC  1 A DG  6 8_665 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog3  hydrog ? A DC  1 O2    ? ? ? 1_555 A DG  6 N2 ? ? A DC  1 A DG  6 8_665 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog4  hydrog ? A DG  2 N1    ? ? ? 1_555 A DC  5 N3 ? ? A DG  2 A DC  5 8_665 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog5  hydrog ? A DG  2 N2    ? ? ? 1_555 A DC  5 O2 ? ? A DG  2 A DC  5 8_665 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog6  hydrog ? A DG  2 O6    ? ? ? 1_555 A DC  5 N4 ? ? A DG  2 A DC  5 8_665 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog7  hydrog ? A G49 3 N1    ? ? ? 1_555 A DC  4 N3 ? ? A G49 3 A DC  4 8_665 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog8  hydrog ? A G49 3 N2    ? ? ? 1_555 A DC  4 O2 ? ? A G49 3 A DC  4 8_665 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog9  hydrog ? A G49 3 O6    ? ? ? 1_555 A DC  4 N4 ? ? A G49 3 A DC  4 8_665 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog10 hydrog ? A DC  4 N3    ? ? ? 1_555 A G49 3 N1 ? ? A DC  4 A G49 3 8_665 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog11 hydrog ? A DC  4 N4    ? ? ? 1_555 A G49 3 O6 ? ? A DC  4 A G49 3 8_665 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog12 hydrog ? A DC  4 O2    ? ? ? 1_555 A G49 3 N2 ? ? A DC  4 A G49 3 8_665 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog13 hydrog ? A DC  5 N3    ? ? ? 1_555 A DG  2 N1 ? ? A DC  5 A DG  2 8_665 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog14 hydrog ? A DC  5 N4    ? ? ? 1_555 A DG  2 O6 ? ? A DC  5 A DG  2 8_665 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog15 hydrog ? A DC  5 O2    ? ? ? 1_555 A DG  2 N2 ? ? A DC  5 A DG  2 8_665 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog16 hydrog ? A DG  6 N1    ? ? ? 1_555 A DC  1 N3 ? ? A DG  6 A DC  1 8_665 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog17 hydrog ? A DG  6 N2    ? ? ? 1_555 A DC  1 O2 ? ? A DG  6 A DC  1 8_665 ? ? ? ? ? ? WATSON-CRICK ?     ? 
hydrog18 hydrog ? A DG  6 O6    ? ? ? 1_555 A DC  1 N4 ? ? A DG  6 A DC  1 8_665 ? ? ? ? ? ? WATSON-CRICK ?     ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
covale ?                                                                                                             ? 
hydrog 'For hydrogen bonding between nucleic acid bases, donor to acceptor distance of 2.2 -3.5 Angstroms was used.' ? 
# 
loop_
_struct_site.id 
_struct_site.details 
_struct_site.pdbx_evidence_code 
'DRUG BINDING SITE' ?                                  ?        
AC1                 'BINDING SITE FOR RESIDUE DM8 A 7' SOFTWARE 
# 
loop_
_struct_site_gen.id 
_struct_site_gen.site_id 
_struct_site_gen.pdbx_num_res 
_struct_site_gen.label_comp_id 
_struct_site_gen.label_asym_id 
_struct_site_gen.label_seq_id 
_struct_site_gen.pdbx_auth_ins_code 
_struct_site_gen.auth_comp_id 
_struct_site_gen.auth_asym_id 
_struct_site_gen.auth_seq_id 
_struct_site_gen.label_atom_id 
_struct_site_gen.label_alt_id 
_struct_site_gen.symmetry 
_struct_site_gen.details 
1 AC1 8 DC  A 1 ? DC  A 1  . . 8_665 ? 
2 AC1 8 DG  A 2 ? DG  A 2  . . 8_665 ? 
3 AC1 8 G49 A 3 ? G49 A 3  . . 8_665 ? 
4 AC1 8 DC  A 5 ? DC  A 5  . . 1_555 ? 
5 AC1 8 DG  A 6 ? DG  A 6  . . 1_555 ? 
6 AC1 8 HOH C . ? HOH A 8  . . 1_555 ? 
7 AC1 8 HOH C . ? HOH A 12 . . 1_555 ? 
8 AC1 8 HOH C . ? HOH A 19 . . 1_555 ? 
# 
_database_PDB_matrix.entry_id          278D 
_database_PDB_matrix.origx[1][1]       1.000000 
_database_PDB_matrix.origx[1][2]       0.000000 
_database_PDB_matrix.origx[1][3]       0.000000 
_database_PDB_matrix.origx[2][1]       0.000000 
_database_PDB_matrix.origx[2][2]       1.000000 
_database_PDB_matrix.origx[2][3]       0.000000 
_database_PDB_matrix.origx[3][1]       0.000000 
_database_PDB_matrix.origx[3][2]       0.000000 
_database_PDB_matrix.origx[3][3]       1.000000 
_database_PDB_matrix.origx_vector[1]   0.00000 
_database_PDB_matrix.origx_vector[2]   0.00000 
_database_PDB_matrix.origx_vector[3]   0.00000 
# 
_atom_sites.entry_id                    278D 
_atom_sites.Cartn_transform_axes        ? 
_atom_sites.fract_transf_matrix[1][1]   0.035398 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.000000 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.035398 
_atom_sites.fract_transf_matrix[2][3]   0.000000 
_atom_sites.fract_transf_matrix[3][1]   0.000000 
_atom_sites.fract_transf_matrix[3][2]   0.000000 
_atom_sites.fract_transf_matrix[3][3]   0.018632 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
# 
loop_
_atom_type.symbol 
O  
C  
N  
P  
BR 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.Cartn_x_esd 
_atom_site.Cartn_y_esd 
_atom_site.Cartn_z_esd 
_atom_site.occupancy_esd 
_atom_site.B_iso_or_equiv_esd 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1   O  "O5'" . DC  A 1 1 ? 9.355  20.170 22.563 1.00 18.91 ? ? ? ? ? ? 1  DC  A "O5'" 1 
ATOM   2   C  "C5'" . DC  A 1 1 ? 9.657  21.043 23.684 1.00 17.71 ? ? ? ? ? ? 1  DC  A "C5'" 1 
ATOM   3   C  "C4'" . DC  A 1 1 ? 11.135 21.018 23.895 1.00 17.43 ? ? ? ? ? ? 1  DC  A "C4'" 1 
ATOM   4   O  "O4'" . DC  A 1 1 ? 11.462 19.925 24.738 1.00 16.76 ? ? ? ? ? ? 1  DC  A "O4'" 1 
ATOM   5   C  "C3'" . DC  A 1 1 ? 12.041 20.857 22.678 1.00 17.37 ? ? ? ? ? ? 1  DC  A "C3'" 1 
ATOM   6   O  "O3'" . DC  A 1 1 ? 13.239 21.625 22.905 1.00 18.18 ? ? ? ? ? ? 1  DC  A "O3'" 1 
ATOM   7   C  "C2'" . DC  A 1 1 ? 12.318 19.360 22.636 1.00 16.86 ? ? ? ? ? ? 1  DC  A "C2'" 1 
ATOM   8   C  "C1'" . DC  A 1 1 ? 12.394 19.041 24.153 1.00 16.08 ? ? ? ? ? ? 1  DC  A "C1'" 1 
ATOM   9   N  N1    . DC  A 1 1 ? 12.002 17.651 24.348 1.00 15.02 ? ? ? ? ? ? 1  DC  A N1    1 
ATOM   10  C  C2    . DC  A 1 1 ? 12.993 16.685 24.543 1.00 14.41 ? ? ? ? ? ? 1  DC  A C2    1 
ATOM   11  O  O2    . DC  A 1 1 ? 14.151 17.035 24.590 1.00 14.23 ? ? ? ? ? ? 1  DC  A O2    1 
ATOM   12  N  N3    . DC  A 1 1 ? 12.569 15.400 24.643 1.00 13.79 ? ? ? ? ? ? 1  DC  A N3    1 
ATOM   13  C  C4    . DC  A 1 1 ? 11.298 15.024 24.632 1.00 13.80 ? ? ? ? ? ? 1  DC  A C4    1 
ATOM   14  N  N4    . DC  A 1 1 ? 10.920 13.756 24.722 1.00 13.61 ? ? ? ? ? ? 1  DC  A N4    1 
ATOM   15  C  C5    . DC  A 1 1 ? 10.273 16.018 24.443 1.00 14.00 ? ? ? ? ? ? 1  DC  A C5    1 
ATOM   16  C  C6    . DC  A 1 1 ? 10.691 17.275 24.290 1.00 14.52 ? ? ? ? ? ? 1  DC  A C6    1 
ATOM   17  P  P     . DG  A 1 2 ? 13.804 22.710 21.878 1.00 21.92 ? ? ? ? ? ? 2  DG  A P     1 
ATOM   18  O  OP1   . DG  A 1 2 ? 14.883 23.362 22.605 1.00 21.47 ? ? ? ? ? ? 2  DG  A OP1   1 
ATOM   19  O  OP2   . DG  A 1 2 ? 12.640 23.391 21.283 1.00 21.67 ? ? ? ? ? ? 2  DG  A OP2   1 
ATOM   20  O  "O5'" . DG  A 1 2 ? 14.451 21.701 20.788 1.00 19.03 ? ? ? ? ? ? 2  DG  A "O5'" 1 
ATOM   21  C  "C5'" . DG  A 1 2 ? 15.781 21.125 21.088 1.00 18.03 ? ? ? ? ? ? 2  DG  A "C5'" 1 
ATOM   22  C  "C4'" . DG  A 1 2 ? 16.140 20.309 19.845 1.00 17.66 ? ? ? ? ? ? 2  DG  A "C4'" 1 
ATOM   23  O  "O4'" . DG  A 1 2 ? 15.366 19.137 19.829 1.00 17.13 ? ? ? ? ? ? 2  DG  A "O4'" 1 
ATOM   24  C  "C3'" . DG  A 1 2 ? 15.880 21.009 18.518 1.00 17.58 ? ? ? ? ? ? 2  DG  A "C3'" 1 
ATOM   25  O  "O3'" . DG  A 1 2 ? 16.919 20.806 17.564 1.00 18.48 ? ? ? ? ? ? 2  DG  A "O3'" 1 
ATOM   26  C  "C2'" . DG  A 1 2 ? 14.586 20.348 18.012 1.00 17.15 ? ? ? ? ? ? 2  DG  A "C2'" 1 
ATOM   27  C  "C1'" . DG  A 1 2 ? 14.897 18.945 18.481 1.00 16.33 ? ? ? ? ? ? 2  DG  A "C1'" 1 
ATOM   28  N  N9    . DG  A 1 2 ? 13.702 18.120 18.381 1.00 15.41 ? ? ? ? ? ? 2  DG  A N9    1 
ATOM   29  C  C8    . DG  A 1 2 ? 12.386 18.467 18.339 1.00 15.10 ? ? ? ? ? ? 2  DG  A C8    1 
ATOM   30  N  N7    . DG  A 1 2 ? 11.572 17.448 18.207 1.00 14.70 ? ? ? ? ? ? 2  DG  A N7    1 
ATOM   31  C  C5    . DG  A 1 2 ? 12.431 16.343 18.139 1.00 14.38 ? ? ? ? ? ? 2  DG  A C5    1 
ATOM   32  C  C6    . DG  A 1 2 ? 12.194 14.959 18.002 1.00 14.21 ? ? ? ? ? ? 2  DG  A C6    1 
ATOM   33  O  O6    . DG  A 1 2 ? 11.067 14.451 17.923 1.00 14.19 ? ? ? ? ? ? 2  DG  A O6    1 
ATOM   34  N  N1    . DG  A 1 2 ? 13.318 14.191 17.996 1.00 13.69 ? ? ? ? ? ? 2  DG  A N1    1 
ATOM   35  C  C2    . DG  A 1 2 ? 14.575 14.708 18.112 1.00 13.67 ? ? ? ? ? ? 2  DG  A C2    1 
ATOM   36  N  N2    . DG  A 1 2 ? 15.609 13.857 18.081 1.00 13.26 ? ? ? ? ? ? 2  DG  A N2    1 
ATOM   37  N  N3    . DG  A 1 2 ? 14.877 15.979 18.260 1.00 14.00 ? ? ? ? ? ? 2  DG  A N3    1 
ATOM   38  C  C4    . DG  A 1 2 ? 13.742 16.741 18.265 1.00 14.68 ? ? ? ? ? ? 2  DG  A C4    1 
ATOM   39  P  P     . G49 A 1 3 ? 17.911 21.868 16.906 1.00 22.12 ? ? ? ? ? ? 3  G49 A P     1 
ATOM   40  O  O1P   . G49 A 1 3 ? 18.224 22.905 17.938 1.00 23.68 ? ? ? ? ? ? 3  G49 A O1P   1 
ATOM   41  O  O2P   . G49 A 1 3 ? 17.174 22.306 15.700 1.00 22.89 ? ? ? ? ? ? 3  G49 A O2P   1 
ATOM   42  O  "O5'" . G49 A 1 3 ? 19.272 21.038 16.495 1.00 17.48 ? ? ? ? ? ? 3  G49 A "O5'" 1 
ATOM   43  C  "C5'" . G49 A 1 3 ? 20.148 20.371 17.396 1.00 16.32 ? ? ? ? ? ? 3  G49 A "C5'" 1 
ATOM   44  C  "C4'" . G49 A 1 3 ? 20.363 18.987 16.817 1.00 16.18 ? ? ? ? ? ? 3  G49 A "C4'" 1 
ATOM   45  O  "O4'" . G49 A 1 3 ? 19.199 18.193 16.838 1.00 15.94 ? ? ? ? ? ? 3  G49 A "O4'" 1 
ATOM   46  C  "C3'" . G49 A 1 3 ? 20.826 19.018 15.358 1.00 16.03 ? ? ? ? ? ? 3  G49 A "C3'" 1 
ATOM   47  O  "O3'" . G49 A 1 3 ? 22.071 18.337 15.268 1.00 16.26 ? ? ? ? ? ? 3  G49 A "O3'" 1 
ATOM   48  C  "C2'" . G49 A 1 3 ? 19.690 18.363 14.568 1.00 15.75 ? ? ? ? ? ? 3  G49 A "C2'" 1 
ATOM   49  C  "C1'" . G49 A 1 3 ? 19.083 17.439 15.589 1.00 15.14 ? ? ? ? ? ? 3  G49 A "C1'" 1 
ATOM   50  N  N9    . G49 A 1 3 ? 17.662 17.219 15.352 1.00 14.55 ? ? ? ? ? ? 3  G49 A N9    1 
ATOM   51  C  C8    . G49 A 1 3 ? 16.702 18.224 15.310 1.00 14.27 ? ? ? ? ? ? 3  G49 A C8    1 
ATOM   52  N  N7    . G49 A 1 3 ? 15.493 17.784 15.094 1.00 13.83 ? ? ? ? ? ? 3  G49 A N7    1 
ATOM   53  C  C5    . G49 A 1 3 ? 15.665 16.402 15.031 1.00 13.87 ? ? ? ? ? ? 3  G49 A C5    1 
ATOM   54  C  C6    . G49 A 1 3 ? 14.699 15.377 14.842 1.00 13.83 ? ? ? ? ? ? 3  G49 A C6    1 
ATOM   55  O  O6    . G49 A 1 3 ? 13.462 15.527 14.705 1.00 13.83 ? ? ? ? ? ? 3  G49 A O6    1 
ATOM   56  N  N1    . G49 A 1 3 ? 15.230 14.126 14.842 1.00 13.69 ? ? ? ? ? ? 3  G49 A N1    1 
ATOM   57  C  C2    . G49 A 1 3 ? 16.541 13.872 14.973 1.00 13.71 ? ? ? ? ? ? 3  G49 A C2    1 
ATOM   58  N  N2    . G49 A 1 3 ? 16.897 12.578 14.936 1.00 14.19 ? ? ? ? ? ? 3  G49 A N2    1 
ATOM   59  C  CM2   . G49 A 1 3 ? 18.334 12.423 15.036 1.00 14.45 ? ? ? ? ? ? 3  G49 A CM2   1 
ATOM   60  N  N3    . G49 A 1 3 ? 17.515 14.784 15.184 1.00 14.07 ? ? ? ? ? ? 3  G49 A N3    1 
ATOM   61  C  C4    . G49 A 1 3 ? 16.973 16.038 15.194 1.00 13.96 ? ? ? ? ? ? 3  G49 A C4    1 
ATOM   62  P  P     . DC  A 1 4 ? 22.913 18.168 13.941 1.00 18.51 ? ? ? ? ? ? 4  DC  A P     1 
ATOM   63  O  OP1   . DC  A 1 4 ? 24.289 17.970 14.510 1.00 18.96 ? ? ? ? ? ? 4  DC  A OP1   1 
ATOM   64  O  OP2   . DC  A 1 4 ? 22.549 19.349 13.146 1.00 19.90 ? ? ? ? ? ? 4  DC  A OP2   1 
ATOM   65  O  "O5'" . DC  A 1 4 ? 22.441 16.818 13.246 1.00 16.24 ? ? ? ? ? ? 4  DC  A "O5'" 1 
ATOM   66  C  "C5'" . DC  A 1 4 ? 22.634 15.564 13.894 1.00 15.64 ? ? ? ? ? ? 4  DC  A "C5'" 1 
ATOM   67  C  "C4'" . DC  A 1 4 ? 21.927 14.547 13.051 1.00 15.69 ? ? ? ? ? ? 4  DC  A "C4'" 1 
ATOM   68  O  "O4'" . DC  A 1 4 ? 20.529 14.730 13.088 1.00 15.22 ? ? ? ? ? ? 4  DC  A "O4'" 1 
ATOM   69  C  "C3'" . DC  A 1 4 ? 22.297 14.589 11.555 1.00 15.84 ? ? ? ? ? ? 4  DC  A "C3'" 1 
ATOM   70  O  "O3'" . DC  A 1 4 ? 22.913 13.332 11.208 1.00 16.87 ? ? ? ? ? ? 4  DC  A "O3'" 1 
ATOM   71  C  "C2'" . DC  A 1 4 ? 20.984 14.843 10.839 1.00 15.51 ? ? ? ? ? ? 4  DC  A "C2'" 1 
ATOM   72  C  "C1'" . DC  A 1 4 ? 19.990 14.309 11.808 1.00 14.66 ? ? ? ? ? ? 4  DC  A "C1'" 1 
ATOM   73  N  N1    . DC  A 1 4 ? 18.696 14.962 11.703 1.00 14.11 ? ? ? ? ? ? 4  DC  A N1    1 
ATOM   74  C  C2    . DC  A 1 4 ? 17.600 14.126 11.708 1.00 13.66 ? ? ? ? ? ? 4  DC  A C2    1 
ATOM   75  O  O2    . DC  A 1 4 ? 17.733 12.903 11.761 1.00 13.77 ? ? ? ? ? ? 4  DC  A O2    1 
ATOM   76  N  N3    . DC  A 1 4 ? 16.391 14.730 11.634 1.00 13.55 ? ? ? ? ? ? 4  DC  A N3    1 
ATOM   77  C  C4    . DC  A 1 4 ? 16.247 16.075 11.592 1.00 13.29 ? ? ? ? ? ? 4  DC  A C4    1 
ATOM   78  N  N4    . DC  A 1 4 ? 15.013 16.544 11.534 1.00 13.39 ? ? ? ? ? ? 4  DC  A N4    1 
ATOM   79  C  C5    . DC  A 1 4 ? 17.385 16.919 11.571 1.00 13.44 ? ? ? ? ? ? 4  DC  A C5    1 
ATOM   80  C  C6    . DC  A 1 4 ? 18.583 16.326 11.634 1.00 13.71 ? ? ? ? ? ? 4  DC  A C6    1 
ATOM   81  P  P     . DC  A 1 5 ? 23.978 13.276 9.959  1.00 21.06 ? ? ? ? ? ? 5  DC  A P     1 
ATOM   82  O  OP1   . DC  A 1 5 ? 24.797 12.123 10.312 1.00 21.58 ? ? ? ? ? ? 5  DC  A OP1   1 
ATOM   83  O  OP2   . DC  A 1 5 ? 24.311 14.699 9.585  1.00 21.75 ? ? ? ? ? ? 5  DC  A OP2   1 
ATOM   84  O  "O5'" . DC  A 1 5 ? 22.916 12.852 8.801  1.00 17.77 ? ? ? ? ? ? 5  DC  A "O5'" 1 
ATOM   85  C  "C5'" . DC  A 1 5 ? 22.379 11.524 8.811  1.00 17.07 ? ? ? ? ? ? 5  DC  A "C5'" 1 
ATOM   86  C  "C4'" . DC  A 1 5 ? 21.230 11.572 7.826  1.00 16.80 ? ? ? ? ? ? 5  DC  A "C4'" 1 
ATOM   87  O  "O4'" . DC  A 1 5 ? 20.196 12.383 8.421  1.00 16.35 ? ? ? ? ? ? 5  DC  A "O4'" 1 
ATOM   88  C  "C3'" . DC  A 1 5 ? 21.543 12.149 6.457  1.00 16.70 ? ? ? ? ? ? 5  DC  A "C3'" 1 
ATOM   89  O  "O3'" . DC  A 1 5 ? 20.956 11.355 5.425  1.00 17.70 ? ? ? ? ? ? 5  DC  A "O3'" 1 
ATOM   90  C  "C2'" . DC  A 1 5 ? 20.905 13.538 6.504  1.00 16.38 ? ? ? ? ? ? 5  DC  A "C2'" 1 
ATOM   91  C  "C1'" . DC  A 1 5 ? 19.676 13.182 7.394  1.00 15.69 ? ? ? ? ? ? 5  DC  A "C1'" 1 
ATOM   92  N  N1    . DC  A 1 5 ? 18.976 14.408 7.779  1.00 15.13 ? ? ? ? ? ? 5  DC  A N1    1 
ATOM   93  C  C2    . DC  A 1 5 ? 17.603 14.208 7.995  1.00 14.74 ? ? ? ? ? ? 5  DC  A C2    1 
ATOM   94  O  O2    . DC  A 1 5 ? 17.162 13.047 7.984  1.00 14.37 ? ? ? ? ? ? 5  DC  A O2    1 
ATOM   95  N  N3    . DC  A 1 5 ? 16.854 15.321 8.206  1.00 14.58 ? ? ? ? ? ? 5  DC  A N3    1 
ATOM   96  C  C4    . DC  A 1 5 ? 17.416 16.558 8.237  1.00 14.51 ? ? ? ? ? ? 5  DC  A C4    1 
ATOM   97  N  N4    . DC  A 1 5 ? 16.626 17.634 8.453  1.00 14.40 ? ? ? ? ? ? 5  DC  A N4    1 
ATOM   98  C  C5    . DC  A 1 5 ? 18.803 16.733 8.053  1.00 14.54 ? ? ? ? ? ? 5  DC  A C5    1 
ATOM   99  C  C6    . DC  A 1 5 ? 19.541 15.643 7.821  1.00 14.82 ? ? ? ? ? ? 5  DC  A C6    1 
ATOM   100 P  P     . DG  A 1 6 ? 21.670 10.219 4.466  1.00 21.37 ? ? ? ? ? ? 6  DG  A P     1 
ATOM   101 O  OP1   . DG  A 1 6 ? 22.371 9.284  5.414  1.00 24.25 ? ? ? ? ? ? 6  DG  A OP1   1 
ATOM   102 O  OP2   . DG  A 1 6 ? 22.393 11.140 3.566  1.00 20.89 ? ? ? ? ? ? 6  DG  A OP2   1 
ATOM   103 O  "O5'" . DG  A 1 6 ? 20.442 9.448  3.818  1.00 17.86 ? ? ? ? ? ? 6  DG  A "O5'" 1 
ATOM   104 C  "C5'" . DG  A 1 6 ? 19.518 8.584  4.450  1.00 16.65 ? ? ? ? ? ? 6  DG  A "C5'" 1 
ATOM   105 C  "C4'" . DG  A 1 6 ? 18.527 8.070  3.439  1.00 16.30 ? ? ? ? ? ? 6  DG  A "C4'" 1 
ATOM   106 O  "O4'" . DG  A 1 6 ? 17.626 9.092  3.049  1.00 16.21 ? ? ? ? ? ? 6  DG  A "O4'" 1 
ATOM   107 C  "C3'" . DG  A 1 6 ? 19.114 7.561  2.117  1.00 16.06 ? ? ? ? ? ? 6  DG  A "C3'" 1 
ATOM   108 O  "O3'" . DG  A 1 6 ? 18.295 6.474  1.701  1.00 16.59 ? ? ? ? ? ? 6  DG  A "O3'" 1 
ATOM   109 C  "C2'" . DG  A 1 6 ? 19.083 8.810  1.238  1.00 15.54 ? ? ? ? ? ? 6  DG  A "C2'" 1 
ATOM   110 C  "C1'" . DG  A 1 6 ? 17.789 9.457  1.622  1.00 14.80 ? ? ? ? ? ? 6  DG  A "C1'" 1 
ATOM   111 N  N9    . DG  A 1 6 ? 17.758 10.917 1.559  1.00 13.80 ? ? ? ? ? ? 6  DG  A N9    1 
ATOM   112 C  C8    . DG  A 1 6 ? 18.815 11.784 1.627  1.00 13.52 ? ? ? ? ? ? 6  DG  A C8    1 
ATOM   113 N  N7    . DG  A 1 6 ? 18.464 13.036 1.606  1.00 13.37 ? ? ? ? ? ? 6  DG  A N7    1 
ATOM   114 C  C5    . DG  A 1 6 ? 17.094 13.004 1.585  1.00 13.03 ? ? ? ? ? ? 6  DG  A C5    1 
ATOM   115 C  C6    . DG  A 1 6 ? 16.131 14.067 1.601  1.00 12.93 ? ? ? ? ? ? 6  DG  A C6    1 
ATOM   116 O  O6    . DG  A 1 6 ? 16.408 15.261 1.633  1.00 12.86 ? ? ? ? ? ? 6  DG  A O6    1 
ATOM   117 N  N1    . DG  A 1 6 ? 14.829 13.640 1.564  1.00 12.70 ? ? ? ? ? ? 6  DG  A N1    1 
ATOM   118 C  C2    . DG  A 1 6 ? 14.487 12.321 1.522  1.00 12.53 ? ? ? ? ? ? 6  DG  A C2    1 
ATOM   119 N  N2    . DG  A 1 6 ? 13.191 12.055 1.490  1.00 12.15 ? ? ? ? ? ? 6  DG  A N2    1 
ATOM   120 N  N3    . DG  A 1 6 ? 15.355 11.290 1.506  1.00 12.62 ? ? ? ? ? ? 6  DG  A N3    1 
ATOM   121 C  C4    . DG  A 1 6 ? 16.628 11.714 1.554  1.00 13.25 ? ? ? ? ? ? 6  DG  A C4    1 
HETATM 122 C  C1    . DM8 B 2 . ? 15.708 18.527 5.040  1.00 14.07 ? ? ? ? ? ? 7  DM8 A C1    1 
HETATM 123 C  C2    . DM8 B 2 . ? 16.860 19.306 5.003  1.00 14.27 ? ? ? ? ? ? 7  DM8 A C2    1 
HETATM 124 C  C3    . DM8 B 2 . ? 18.199 18.682 4.919  1.00 14.24 ? ? ? ? ? ? 7  DM8 A C3    1 
HETATM 125 C  C4    . DM8 B 2 . ? 18.241 17.210 4.882  1.00 14.15 ? ? ? ? ? ? 7  DM8 A C4    1 
HETATM 126 C  C5    . DM8 B 2 . ? 17.004 15.013 4.803  1.00 13.65 ? ? ? ? ? ? 7  DM8 A C5    1 
HETATM 127 C  C6    . DM8 B 2 . ? 15.705 12.886 4.808  1.00 13.46 ? ? ? ? ? ? 7  DM8 A C6    1 
HETATM 128 C  C7    . DM8 B 2 . ? 14.408 10.722 4.819  1.00 14.27 ? ? ? ? ? ? 7  DM8 A C7    1 
HETATM 129 C  C8    . DM8 B 2 . ? 13.058 10.106 4.766  1.00 14.27 ? ? ? ? ? ? 7  DM8 A C8    1 
HETATM 130 C  C9    . DM8 B 2 . ? 11.940 10.846 5.425  1.00 14.26 ? ? ? ? ? ? 7  DM8 A C9    1 
HETATM 131 C  C10   . DM8 B 2 . ? 11.863 12.327 4.877  1.00 13.96 ? ? ? ? ? ? 7  DM8 A C10   1 
HETATM 132 C  C11   . DM8 B 2 . ? 13.245 14.332 4.909  1.00 13.54 ? ? ? ? ? ? 7  DM8 A C11   1 
HETATM 133 C  C12   . DM8 B 2 . ? 14.473 16.504 4.956  1.00 13.64 ? ? ? ? ? ? 7  DM8 A C12   1 
HETATM 134 C  C13   . DM8 B 2 . ? 10.612 10.169 5.109  1.00 14.70 ? ? ? ? ? ? 7  DM8 A C13   1 
HETATM 135 C  C14   . DM8 B 2 . ? 10.259 9.236  5.941  1.00 15.03 ? ? ? ? ? ? 7  DM8 A C14   1 
HETATM 136 C  C15   . DM8 B 2 . ? 15.784 17.137 4.951  1.00 13.81 ? ? ? ? ? ? 7  DM8 A C15   1 
HETATM 137 C  C16   . DM8 B 2 . ? 17.001 16.501 4.872  1.00 13.96 ? ? ? ? ? ? 7  DM8 A C16   1 
HETATM 138 C  C17   . DM8 B 2 . ? 15.710 14.284 4.866  1.00 13.49 ? ? ? ? ? ? 7  DM8 A C17   1 
HETATM 139 C  C18   . DM8 B 2 . ? 14.434 15.066 4.930  1.00 13.53 ? ? ? ? ? ? 7  DM8 A C18   1 
HETATM 140 C  C19   . DM8 B 2 . ? 13.174 12.923 4.851  1.00 13.53 ? ? ? ? ? ? 7  DM8 A C19   1 
HETATM 141 C  C20   . DM8 B 2 . ? 14.411 12.281 4.819  1.00 13.79 ? ? ? ? ? ? 7  DM8 A C20   1 
HETATM 142 C  C21   . DM8 B 2 . ? 20.699 17.120 4.819  1.00 14.95 ? ? ? ? ? ? 7  DM8 A C21   1 
HETATM 143 O  O4    . DM8 B 2 . ? 19.394 16.583 4.840  1.00 14.57 ? ? ? ? ? ? 7  DM8 A O4    1 
HETATM 144 O  O5    . DM8 B 2 . ? 18.041 14.315 4.729  1.00 13.84 ? ? ? ? ? ? 7  DM8 A O5    1 
HETATM 145 O  O6    . DM8 B 2 . ? 16.798 12.120 4.777  1.00 13.49 ? ? ? ? ? ? 7  DM8 A O6    1 
HETATM 146 O  O7    . DM8 B 2 . ? 15.044 10.479 6.146  1.00 15.00 ? ? ? ? ? ? 7  DM8 A O7    1 
HETATM 147 O  O9    . DM8 B 2 . ? 12.044 10.880 6.873  1.00 14.46 ? ? ? ? ? ? 7  DM8 A O9    1 
HETATM 148 O  O11   . DM8 B 2 . ? 12.098 15.106 4.966  1.00 13.36 ? ? ? ? ? ? 7  DM8 A O11   1 
HETATM 149 O  O12   . DM8 B 2 . ? 13.473 17.239 5.009  1.00 13.71 ? ? ? ? ? ? 7  DM8 A O12   1 
HETATM 150 O  O13   . DM8 B 2 . ? 9.632  10.386 4.008  1.00 15.79 ? ? ? ? ? ? 7  DM8 A O13   1 
HETATM 151 C  "C1'" . DM8 B 2 . ? 15.934 9.380  6.294  1.00 16.08 ? ? ? ? ? ? 7  DM8 A "C1'" 1 
HETATM 152 C  "C2'" . DM8 B 2 . ? 16.716 9.561  7.637  1.00 16.18 ? ? ? ? ? ? 7  DM8 A "C2'" 1 
HETATM 153 C  "C3'" . DM8 B 2 . ? 15.829 9.335  8.822  1.00 16.07 ? ? ? ? ? ? 7  DM8 A "C3'" 1 
HETATM 154 C  "C4'" . DM8 B 2 . ? 15.047 7.971  8.759  1.00 16.02 ? ? ? ? ? ? 7  DM8 A "C4'" 1 
HETATM 155 C  "C5'" . DM8 B 2 . ? 14.146 8.025  7.463  1.00 16.06 ? ? ? ? ? ? 7  DM8 A "C5'" 1 
HETATM 156 C  "C6'" . DM8 B 2 . ? 13.377 6.700  7.284  1.00 16.22 ? ? ? ? ? ? 7  DM8 A "C6'" 1 
HETATM 157 O  "O5'" . DM8 B 2 . ? 15.078 8.152  6.294  1.00 15.88 ? ? ? ? ? ? 7  DM8 A "O5'" 1 
HETATM 158 O  "O4'" . DM8 B 2 . ? 14.157 7.886  9.922  1.00 16.02 ? ? ? ? ? ? 7  DM8 A "O4'" 1 
HETATM 159 N  "N3'" . DM8 B 2 . ? 16.623 9.341  10.186 1.00 15.52 ? ? ? ? ? ? 7  DM8 A "N3'" 1 
HETATM 160 BR BR    . DM8 B 2 . ? 18.241 8.561  7.626  1.00 18.57 ? ? ? ? ? ? 7  DM8 A BR    1 
HETATM 161 O  O     . HOH C 3 . ? 17.626 6.807  11.097 1.00 22.35 ? ? ? ? ? ? 8  HOH A O     1 
HETATM 162 O  O     . HOH C 3 . ? 20.029 9.287  12.129 1.00 55.73 ? ? ? ? ? ? 9  HOH A O     1 
HETATM 163 O  O     . HOH C 3 . ? 20.490 18.939 11.113 1.00 29.16 ? ? ? ? ? ? 10 HOH A O     1 
HETATM 164 O  O     . HOH C 3 . ? 15.021 4.822  10.360 1.00 33.86 ? ? ? ? ? ? 11 HOH A O     1 
HETATM 165 O  O     . HOH C 3 . ? 18.978 11.135 10.291 1.00 19.20 ? ? ? ? ? ? 12 HOH A O     1 
HETATM 166 O  O     . HOH C 3 . ? 10.128 24.760 22.349 1.00 33.65 ? ? ? ? ? ? 13 HOH A O     1 
HETATM 167 O  O     . HOH C 3 . ? 18.521 20.015 8.516  1.00 32.82 ? ? ? ? ? ? 14 HOH A O     1 
HETATM 168 O  O     . HOH C 3 . ? 22.509 16.222 7.663  1.00 33.78 ? ? ? ? ? ? 15 HOH A O     1 
HETATM 169 O  O     . HOH C 3 . ? 8.724  18.604 19.841 1.00 41.10 ? ? ? ? ? ? 16 HOH A O     1 
HETATM 170 O  O     . HOH C 3 . ? 7.179  20.294 19.642 1.00 47.79 ? ? ? ? ? ? 17 HOH A O     1 
HETATM 171 O  O     . HOH C 3 . ? 14.352 8.567  1.517  1.00 29.52 ? ? ? ? ? ? 18 HOH A O     1 
HETATM 172 O  O     . HOH C 3 . ? 9.332  12.021 1.922  1.00 22.76 ? ? ? ? ? ? 19 HOH A O     1 
HETATM 173 O  O     . HOH C 3 . ? 20.481 14.934 2.333  1.00 24.49 ? ? ? ? ? ? 20 HOH A O     1 
HETATM 174 O  O     . HOH C 3 . ? 8.221  13.330 25.345 1.00 40.79 ? ? ? ? ? ? 21 HOH A O     1 
HETATM 175 O  O     . HOH C 3 . ? 21.038 23.641 15.208 1.00 46.91 ? ? ? ? ? ? 22 HOH A O     1 
HETATM 176 O  O     . HOH C 3 . ? 6.112  12.733 0.911  1.00 38.61 ? ? ? ? ? ? 23 HOH A O     1 
HETATM 177 O  O     . HOH C 3 . ? 18.733 16.676 1.369  1.00 36.56 ? ? ? ? ? ? 24 HOH A O     1 
HETATM 178 O  O     . HOH C 3 . ? 12.101 9.700  0.922  1.00 42.39 ? ? ? ? ? ? 25 HOH A O     1 
HETATM 179 O  O     . HOH C 3 . ? 13.158 19.361 14.685 1.00 37.09 ? ? ? ? ? ? 26 HOH A O     1 
HETATM 180 O  O     . HOH C 3 . ? 10.804 21.303 12.345 1.00 48.09 ? ? ? ? ? ? 27 HOH A O     1 
HETATM 181 O  O     . HOH C 3 . ? 14.773 19.608 11.460 1.00 29.27 ? ? ? ? ? ? 28 HOH A O     1 
HETATM 182 O  O     . HOH C 3 . ? 17.657 23.071 12.630 1.00 52.69 ? ? ? ? ? ? 29 HOH A O     1 
HETATM 183 O  O     . HOH C 3 . ? 22.049 18.176 9.275  1.00 45.55 ? ? ? ? ? ? 30 HOH A O     1 
HETATM 184 O  O     . HOH C 3 . ? 8.837  16.296 18.150 1.00 46.43 ? ? ? ? ? ? 31 HOH A O     1 
HETATM 185 O  O     . HOH C 3 . ? 11.407 21.999 19.862 1.00 34.41 ? ? ? ? ? ? 32 HOH A O     1 
HETATM 186 O  O     . HOH C 3 . ? 15.631 2.621  6.683  1.00 52.85 ? ? ? ? ? ? 33 HOH A O     1 
HETATM 187 O  O     . HOH C 3 . ? 9.442  22.607 20.328 1.00 45.97 ? ? ? ? ? ? 34 HOH A O     1 
HETATM 188 O  O     . HOH C 3 . ? 22.433 19.755 6.641  1.00 40.41 ? ? ? ? ? ? 35 HOH A O     1 
HETATM 189 O  O     . HOH C 3 . ? 6.755  15.658 20.573 1.00 55.75 ? ? ? ? ? ? 36 HOH A O     1 
HETATM 190 O  O     . HOH C 3 . ? 22.168 7.619  8.956  1.00 46.69 ? ? ? ? ? ? 37 HOH A O     1 
HETATM 191 O  O     . HOH C 3 . ? 9.686  6.166  3.655  1.00 52.17 ? ? ? ? ? ? 38 HOH A O     1 
HETATM 192 O  O     . HOH C 3 . ? 14.815 6.090  3.260  1.00 35.22 ? ? ? ? ? ? 39 HOH A O     1 
HETATM 193 O  O     . HOH C 3 . ? 26.453 16.543 13.097 1.00 42.44 ? ? ? ? ? ? 40 HOH A O     1 
HETATM 194 O  O     . HOH C 3 . ? 4.175  10.911 -0.716 1.00 54.04 ? ? ? ? ? ? 41 HOH A O     1 
HETATM 195 O  O     . HOH C 3 . ? 15.671 6.112  0.695  1.00 41.42 ? ? ? ? ? ? 42 HOH A O     1 
HETATM 196 O  O     . HOH C 3 . ? 11.565 18.833 11.735 1.00 56.96 ? ? ? ? ? ? 43 HOH A O     1 
HETATM 197 O  O     . HOH C 3 . ? 20.018 5.635  10.949 1.00 44.57 ? ? ? ? ? ? 44 HOH A O     1 
HETATM 198 O  O     . HOH C 3 . ? 2.068  11.762 10.402 1.00 54.82 ? ? ? ? ? ? 45 HOH A O     1 
HETATM 199 O  O     . HOH C 3 . ? 16.041 21.233 8.853  1.00 50.74 ? ? ? ? ? ? 46 HOH A O     1 
HETATM 200 O  O     . HOH C 3 . ? 14.378 25.914 19.340 1.00 46.60 ? ? ? ? ? ? 47 HOH A O     1 
HETATM 201 O  O     . HOH C 3 . ? 23.518 15.679 4.171  1.00 47.52 ? ? ? ? ? ? 48 HOH A O     1 
HETATM 202 O  O     . HOH C 3 . ? 24.543 9.048  9.594  1.00 45.55 ? ? ? ? ? ? 49 HOH A O     1 
HETATM 203 O  O     . HOH C 3 . ? 7.807  8.813  1.501  1.00 51.17 ? ? ? ? ? ? 50 HOH A O     1 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1 DC  1 1 1 DC  C  A . n 
A 1 2 DG  2 2 2 DG  G  A . n 
A 1 3 G49 3 3 3 G49 +G A . n 
A 1 4 DC  4 4 4 DC  C  A . n 
A 1 5 DC  5 5 5 DC  C  A . n 
A 1 6 DG  6 6 6 DG  G  A . n 
# 
loop_
_software.name 
_software.classification 
_software.version 
_software.citation_id 
_software.pdbx_ordinal 
MSC    'data collection' . ? 1 
NUCLSQ refinement        . ? 2 
# 
_struct_site_keywords.site_id   'DRUG BINDING SITE' 
_struct_site_keywords.text      INTERCALATION 
# 
loop_
_pdbx_version.entry_id 
_pdbx_version.revision_date 
_pdbx_version.major_version 
_pdbx_version.minor_version 
_pdbx_version.revision_type 
_pdbx_version.details 
278D 2008-05-22 3 2    'Version format compliance' 'compliance with PDB format V.3.15'          
278D 2011-07-13 4 0000 'Version format compliance' 'compliance with PDB Exchange Dictionary V4' 
# 
_ndb_struct_conf_na.entry_id   278D 
_ndb_struct_conf_na.feature    'b-form double helix' 
# 
loop_
_ndb_struct_na_base_pair.model_number 
_ndb_struct_na_base_pair.i_label_asym_id 
_ndb_struct_na_base_pair.i_label_comp_id 
_ndb_struct_na_base_pair.i_label_seq_id 
_ndb_struct_na_base_pair.i_symmetry 
_ndb_struct_na_base_pair.j_label_asym_id 
_ndb_struct_na_base_pair.j_label_comp_id 
_ndb_struct_na_base_pair.j_label_seq_id 
_ndb_struct_na_base_pair.j_symmetry 
_ndb_struct_na_base_pair.shear 
_ndb_struct_na_base_pair.stretch 
_ndb_struct_na_base_pair.stagger 
_ndb_struct_na_base_pair.buckle 
_ndb_struct_na_base_pair.opening 
_ndb_struct_na_base_pair.pair_number 
_ndb_struct_na_base_pair.pair_name 
_ndb_struct_na_base_pair.i_auth_asym_id 
_ndb_struct_na_base_pair.i_auth_seq_id 
_ndb_struct_na_base_pair.i_PDB_ins_code 
_ndb_struct_na_base_pair.j_auth_asym_id 
_ndb_struct_na_base_pair.j_auth_seq_id 
_ndb_struct_na_base_pair.j_PDB_ins_code 
_ndb_struct_na_base_pair.hbond_type_28 
_ndb_struct_na_base_pair.hbond_type_12 
1 A DC  1 1_555 A DG  6 8_665 0.146  -0.187 0.275 8.221   -3.049 1 A_DC1:DG6_A  A 1 ? A 6 ? 19 1 
1 A DG  2 1_555 A DC  5 8_665 -0.138 -0.173 0.343 -14.259 -0.691 2 A_DG2:DC5_A  A 2 ? A 5 ? 19 1 
1 A G49 3 1_555 A DC  4 8_665 -0.140 -0.207 0.519 -6.746  1.506  3 A_G493:DC4_A A 3 ? A 4 ? 19 1 
1 A DC  4 1_555 A G49 3 8_665 0.140  -0.207 0.519 6.746   1.506  4 A_DC4:G493_A A 4 ? A 3 ? 19 1 
1 A DC  5 1_555 A DG  2 8_665 0.138  -0.173 0.343 14.259  -0.691 5 A_DC5:DG2_A  A 5 ? A 2 ? 19 1 
1 A DG  6 1_555 A DC  1 8_665 -0.146 -0.187 0.275 -8.221  -3.049 6 A_DG6:DC1_A  A 6 ? A 1 ? 19 1 
# 
loop_
_ndb_struct_na_base_pair_step.model_number 
_ndb_struct_na_base_pair_step.i_label_asym_id_1 
_ndb_struct_na_base_pair_step.i_label_comp_id_1 
_ndb_struct_na_base_pair_step.i_label_seq_id_1 
_ndb_struct_na_base_pair_step.i_symmetry_1 
_ndb_struct_na_base_pair_step.j_label_asym_id_1 
_ndb_struct_na_base_pair_step.j_label_comp_id_1 
_ndb_struct_na_base_pair_step.j_label_seq_id_1 
_ndb_struct_na_base_pair_step.j_symmetry_1 
_ndb_struct_na_base_pair_step.i_label_asym_id_2 
_ndb_struct_na_base_pair_step.i_label_comp_id_2 
_ndb_struct_na_base_pair_step.i_label_seq_id_2 
_ndb_struct_na_base_pair_step.i_symmetry_2 
_ndb_struct_na_base_pair_step.j_label_asym_id_2 
_ndb_struct_na_base_pair_step.j_label_comp_id_2 
_ndb_struct_na_base_pair_step.j_label_seq_id_2 
_ndb_struct_na_base_pair_step.j_symmetry_2 
_ndb_struct_na_base_pair_step.shift 
_ndb_struct_na_base_pair_step.slide 
_ndb_struct_na_base_pair_step.rise 
_ndb_struct_na_base_pair_step.tilt 
_ndb_struct_na_base_pair_step.roll 
_ndb_struct_na_base_pair_step.twist 
_ndb_struct_na_base_pair_step.x_displacement 
_ndb_struct_na_base_pair_step.y_displacement 
_ndb_struct_na_base_pair_step.helical_rise 
_ndb_struct_na_base_pair_step.inclination 
_ndb_struct_na_base_pair_step.tip 
_ndb_struct_na_base_pair_step.helical_twist 
_ndb_struct_na_base_pair_step.step_number 
_ndb_struct_na_base_pair_step.step_name 
_ndb_struct_na_base_pair_step.i_auth_asym_id_1 
_ndb_struct_na_base_pair_step.i_auth_seq_id_1 
_ndb_struct_na_base_pair_step.i_PDB_ins_code_1 
_ndb_struct_na_base_pair_step.j_auth_asym_id_1 
_ndb_struct_na_base_pair_step.j_auth_seq_id_1 
_ndb_struct_na_base_pair_step.j_PDB_ins_code_1 
_ndb_struct_na_base_pair_step.i_auth_asym_id_2 
_ndb_struct_na_base_pair_step.i_auth_seq_id_2 
_ndb_struct_na_base_pair_step.i_PDB_ins_code_2 
_ndb_struct_na_base_pair_step.j_auth_asym_id_2 
_ndb_struct_na_base_pair_step.j_auth_seq_id_2 
_ndb_struct_na_base_pair_step.j_PDB_ins_code_2 
1 A DC  1 1_555 A DG  6 8_665 A DG  2 1_555 A DC  5 8_665 1.310  0.964  6.976 -0.453 -2.218 33.649 2.426  -2.415 6.882 -3.826 
0.781  33.723 1 AA_DC1DG2:DC5DG6_AA   A 1 ? A 6 ? A 2 ? A 5 ? 
1 A DG  2 1_555 A DC  5 8_665 A G49 3 1_555 A DC  4 8_665 -1.409 0.729  3.203 -3.873 2.892  31.158 0.796  1.861  3.401 5.343  
7.156  31.522 2 AA_DG2G493:DC4DC5_AA  A 2 ? A 5 ? A 3 ? A 4 ? 
1 A G49 3 1_555 A DC  4 8_665 A DC  4 1_555 A G49 3 8_665 -0.000 -0.315 3.068 -0.000 -0.205 32.351 -0.531 -0.000 3.069 -0.367 
0.000  32.352 3 AA_G493DC4:G493DC4_AA A 3 ? A 4 ? A 4 ? A 3 ? 
1 A DC  4 1_555 A G49 3 8_665 A DC  5 1_555 A DG  2 8_665 1.409  0.729  3.203 3.873  2.892  31.158 0.796  -1.861 3.401 5.343  
-7.156 31.522 4 AA_DC4DC5:DG2G493_AA  A 4 ? A 3 ? A 5 ? A 2 ? 
1 A DC  5 1_555 A DG  2 8_665 A DG  6 1_555 A DC  1 8_665 -1.310 0.964  6.976 0.453  -2.218 33.649 2.426  2.415  6.882 -3.826 
-0.781 33.723 5 AA_DC5DG6:DC1DG2_AA   A 5 ? A 2 ? A 6 ? A 1 ? 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   dimeric 
_pdbx_struct_assembly.oligomeric_count     2 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1,2 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C 
# 
loop_
_pdbx_struct_oper_list.id 
_pdbx_struct_oper_list.type 
_pdbx_struct_oper_list.name 
_pdbx_struct_oper_list.symmetry_operation 
_pdbx_struct_oper_list.matrix[1][1] 
_pdbx_struct_oper_list.matrix[1][2] 
_pdbx_struct_oper_list.matrix[1][3] 
_pdbx_struct_oper_list.vector[1] 
_pdbx_struct_oper_list.matrix[2][1] 
_pdbx_struct_oper_list.matrix[2][2] 
_pdbx_struct_oper_list.matrix[2][3] 
_pdbx_struct_oper_list.vector[2] 
_pdbx_struct_oper_list.matrix[3][1] 
_pdbx_struct_oper_list.matrix[3][2] 
_pdbx_struct_oper_list.matrix[3][3] 
_pdbx_struct_oper_list.vector[3] 
1 'identity operation'         1_555 x,y,z            1.0000000000 0.0000000000  0.0000000000 0.0000000000  0.0000000000  
1.0000000000 0.0000000000 0.0000000000  0.0000000000 0.0000000000 1.0000000000  0.0000000000  
2 'crystal symmetry operation' 8_665 -y+1,-x+1,-z+1/2 0.0000000000 -1.0000000000 0.0000000000 28.2500000000 -1.0000000000 
0.0000000000 0.0000000000 28.2500000000 0.0000000000 0.0000000000 -1.0000000000 26.8350000000 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 DM8 1  7  7  DM8 DM8 A . 
C 3 HOH 1  8  8  HOH HOH A . 
C 3 HOH 2  9  9  HOH HOH A . 
C 3 HOH 3  10 10 HOH HOH A . 
C 3 HOH 4  11 11 HOH HOH A . 
C 3 HOH 5  12 12 HOH HOH A . 
C 3 HOH 6  13 13 HOH HOH A . 
C 3 HOH 7  14 14 HOH HOH A . 
C 3 HOH 8  15 15 HOH HOH A . 
C 3 HOH 9  16 16 HOH HOH A . 
C 3 HOH 10 17 17 HOH HOH A . 
C 3 HOH 11 18 18 HOH HOH A . 
C 3 HOH 12 19 19 HOH HOH A . 
C 3 HOH 13 20 20 HOH HOH A . 
C 3 HOH 14 21 21 HOH HOH A . 
C 3 HOH 15 22 22 HOH HOH A . 
C 3 HOH 16 23 23 HOH HOH A . 
C 3 HOH 17 24 24 HOH HOH A . 
C 3 HOH 18 25 25 HOH HOH A . 
C 3 HOH 19 26 26 HOH HOH A . 
C 3 HOH 20 27 27 HOH HOH A . 
C 3 HOH 21 28 28 HOH HOH A . 
C 3 HOH 22 29 29 HOH HOH A . 
C 3 HOH 23 30 30 HOH HOH A . 
C 3 HOH 24 31 31 HOH HOH A . 
C 3 HOH 25 32 32 HOH HOH A . 
C 3 HOH 26 33 33 HOH HOH A . 
C 3 HOH 27 34 34 HOH HOH A . 
C 3 HOH 28 35 35 HOH HOH A . 
C 3 HOH 29 36 36 HOH HOH A . 
C 3 HOH 30 37 37 HOH HOH A . 
C 3 HOH 31 38 38 HOH HOH A . 
C 3 HOH 32 39 39 HOH HOH A . 
C 3 HOH 33 40 40 HOH HOH A . 
C 3 HOH 34 41 41 HOH HOH A . 
C 3 HOH 35 42 42 HOH HOH A . 
C 3 HOH 36 43 43 HOH HOH A . 
C 3 HOH 37 44 44 HOH HOH A . 
C 3 HOH 38 45 45 HOH HOH A . 
C 3 HOH 39 46 46 HOH HOH A . 
C 3 HOH 40 47 47 HOH HOH A . 
C 3 HOH 41 48 48 HOH HOH A . 
C 3 HOH 42 49 49 HOH HOH A . 
C 3 HOH 43 50 50 HOH HOH A . 
# 
_pdbx_struct_mod_residue.id               1 
_pdbx_struct_mod_residue.label_asym_id    A 
_pdbx_struct_mod_residue.label_seq_id     3 
_pdbx_struct_mod_residue.label_comp_id    G49 
_pdbx_struct_mod_residue.auth_asym_id     A 
_pdbx_struct_mod_residue.auth_seq_id      3 
_pdbx_struct_mod_residue.auth_comp_id     G49 
_pdbx_struct_mod_residue.PDB_ins_code     ? 
_pdbx_struct_mod_residue.parent_comp_id   DG 
_pdbx_struct_mod_residue.details          ? 
# 
_pdbx_validate_close_contact.id               1 
_pdbx_validate_close_contact.PDB_model_num    1 
_pdbx_validate_close_contact.auth_atom_id_1   O 
_pdbx_validate_close_contact.auth_asym_id_1   A 
_pdbx_validate_close_contact.auth_comp_id_1   HOH 
_pdbx_validate_close_contact.auth_seq_id_1    32 
_pdbx_validate_close_contact.PDB_ins_code_1   ? 
_pdbx_validate_close_contact.label_alt_id_1   ? 
_pdbx_validate_close_contact.auth_atom_id_2   O 
_pdbx_validate_close_contact.auth_asym_id_2   A 
_pdbx_validate_close_contact.auth_comp_id_2   HOH 
_pdbx_validate_close_contact.auth_seq_id_2    34 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             2.11 
# 
_pdbx_validate_symm_contact.id                1 
_pdbx_validate_symm_contact.PDB_model_num     1 
_pdbx_validate_symm_contact.auth_atom_id_1    CM2 
_pdbx_validate_symm_contact.auth_asym_id_1    A 
_pdbx_validate_symm_contact.auth_comp_id_1    G49 
_pdbx_validate_symm_contact.auth_seq_id_1     3 
_pdbx_validate_symm_contact.PDB_ins_code_1    ? 
_pdbx_validate_symm_contact.label_alt_id_1    ? 
_pdbx_validate_symm_contact.site_symmetry_1   1_555 
_pdbx_validate_symm_contact.auth_atom_id_2    "N3'" 
_pdbx_validate_symm_contact.auth_asym_id_2    A 
_pdbx_validate_symm_contact.auth_comp_id_2    DM8 
_pdbx_validate_symm_contact.auth_seq_id_2     7 
_pdbx_validate_symm_contact.PDB_ins_code_2    ? 
_pdbx_validate_symm_contact.label_alt_id_2    ? 
_pdbx_validate_symm_contact.site_symmetry_2   8_665 
_pdbx_validate_symm_contact.dist              1.89 
# 
loop_
_pdbx_validate_rmsd_angle.id 
_pdbx_validate_rmsd_angle.PDB_model_num 
_pdbx_validate_rmsd_angle.auth_atom_id_1 
_pdbx_validate_rmsd_angle.auth_asym_id_1 
_pdbx_validate_rmsd_angle.auth_comp_id_1 
_pdbx_validate_rmsd_angle.auth_seq_id_1 
_pdbx_validate_rmsd_angle.PDB_ins_code_1 
_pdbx_validate_rmsd_angle.label_alt_id_1 
_pdbx_validate_rmsd_angle.auth_atom_id_2 
_pdbx_validate_rmsd_angle.auth_asym_id_2 
_pdbx_validate_rmsd_angle.auth_comp_id_2 
_pdbx_validate_rmsd_angle.auth_seq_id_2 
_pdbx_validate_rmsd_angle.PDB_ins_code_2 
_pdbx_validate_rmsd_angle.label_alt_id_2 
_pdbx_validate_rmsd_angle.auth_atom_id_3 
_pdbx_validate_rmsd_angle.auth_asym_id_3 
_pdbx_validate_rmsd_angle.auth_comp_id_3 
_pdbx_validate_rmsd_angle.auth_seq_id_3 
_pdbx_validate_rmsd_angle.PDB_ins_code_3 
_pdbx_validate_rmsd_angle.label_alt_id_3 
_pdbx_validate_rmsd_angle.angle_deviation 
1  1 "O4'" A DC 1 ? ? "C1'" A DC 1 ? ? N1    A DC 1 ? ? 3.1  
2  1 C2    A DC 1 ? ? N3    A DC 1 ? ? C4    A DC 1 ? ? 4.7  
3  1 N3    A DC 1 ? ? C4    A DC 1 ? ? C5    A DC 1 ? ? -2.7 
4  1 N3    A DC 1 ? ? C4    A DC 1 ? ? N4    A DC 1 ? ? 5.0  
5  1 "C3'" A DG 2 ? ? "C2'" A DG 2 ? ? "C1'" A DG 2 ? ? -5.3 
6  1 "O4'" A DG 2 ? ? "C1'" A DG 2 ? ? N9    A DG 2 ? ? 5.7  
7  1 C5    A DG 2 ? ? C6    A DG 2 ? ? N1    A DG 2 ? ? 3.0  
8  1 C5    A DG 2 ? ? C6    A DG 2 ? ? O6    A DG 2 ? ? -4.5 
9  1 OP1   A DC 5 ? ? P     A DC 5 ? ? OP2   A DC 5 ? ? 13.4 
10 1 "O5'" A DC 5 ? ? "C5'" A DC 5 ? ? "C4'" A DC 5 ? ? -4.9 
11 1 "O4'" A DC 5 ? ? "C1'" A DC 5 ? ? N1    A DC 5 ? ? 9.2  
12 1 C5    A DG 6 ? ? C6    A DG 6 ? ? O6    A DG 6 ? ? -3.8 
13 1 "C3'" A DC 5 ? ? "O3'" A DC 5 ? ? P     A DG 6 ? ? 9.0  
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 "2'-BROMO-4'-EPIDAUNORUBICIN" DM8 
3 water                         HOH 
# 
